6-chloro-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide

C17H11ClN2OS — CID 155529213

IUPAC6-chloro-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1cccc2[nH]ccc12)c1cc2ccc(Cl)cc2s1
InChIInChI=1S/C17H11ClN2OS/c18-11-5-4-10-8-16(22-15(10)9-11)17(21)20-14-3-1-2-13-12(14)6-7-19-13/h1-9,19H,(H,20,21)
InChIKeyWOLGCLSEWNJHKX-UHFFFAOYSA-N
MW326.81 g/mol
LogP5.29
Rot. Bonds2

About 6-chloro-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide

6-chloro-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide (PubChem CID 155529213) has the molecular formula C17H11ClN2OS and a molecular weight of 326.81 g/mol. Its IUPAC name is 6-chloro-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide
PubChem CID155529213
Molecular FormulaC17H11ClN2OS
Molecular Weight326.81 g/mol
Exact Mass326.03
IUPAC Name6-chloro-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1cccc2[nH]ccc12)c1cc2ccc(Cl)cc2s1
InChIInChI=1S/C17H11ClN2OS/c18-11-5-4-10-8-16(22-15(10)9-11)17(21)20-14-3-1-2-13-12(14)6-7-19-13/h1-9,19H,(H,20,21)
InChIKeyWOLGCLSEWNJHKX-UHFFFAOYSA-N
XLogP5.29
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.81
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 6-chloro-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide (CID 155529213) is 6-chloro-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 6-chloro-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide is O=C(Nc1cccc2[nH]ccc12)c1cc2ccc(Cl)cc2s1.
What is the InChIKey of 6-chloro-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide?
The InChIKey is WOLGCLSEWNJHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2OS/c18-11-5-4-10-8-16(22-15(10)9-11)17(21)20-14-3-1-2-13-12(14)6-7-19-13/h1-9,19H,(H,20,21).
What are the key properties of 6-chloro-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide?
6-chloro-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide has a molecular weight of 326.81 g/mol, XLogP of 5.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 155529213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).